USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 157:sc= 1.93 USER MOD Set 1.2: A 15 CYS SG : rot -59:sc= 1.15 USER MOD Set 1.3: A 17 THR OG1 : rot 90:sc= -1.77! USER MOD Set 1.4: A 20 THR OG1 : rot -117:sc= -0.527 USER MOD Set 1.5: A 33 CYS SG : rot -135:sc= 0.897 USER MOD Set 1.6: A 34 ASN : amide:sc= -1.88! C(o=-3.7!,f=-13!) USER MOD Set 1.7: A 36 CYS SG : rot 150:sc= -3.48! USER MOD Set 2.1: A 13 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 14 ASN : amide:sc= -5.54! C(o=-5.9!,f=-5.2!) USER MOD Set 2.3: A 30 GLN : amide:sc= -0.319 K(o=-5.9,f=-5.2) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.133 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.08 X(o=-1.1,f=-1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -6.71! C(o=-6.7!,f=-6.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.103 (180deg=-0.77) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= -1.2 (180deg=-3.46!) USER MOD Single : A 60 ASN : amide:sc= -1.26! C(o=-1.3!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.464 7.087 32.194 1.00 0.00 N ATOM 971 CA THR A 11 11.010 5.665 32.294 1.00 0.00 C ATOM 972 C THR A 11 9.490 5.634 32.497 1.00 0.00 C ATOM 973 O THR A 11 8.941 6.451 33.208 1.00 0.00 O ATOM 974 CB THR A 11 11.705 4.999 33.484 1.00 0.00 C ATOM 975 OG1 THR A 11 13.113 5.077 33.307 1.00 0.00 O ATOM 976 CG2 THR A 11 11.278 3.534 33.576 1.00 0.00 C ATOM 0 HA THR A 11 11.263 5.128 31.380 1.00 0.00 H new ATOM 0 HB THR A 11 11.424 5.511 34.404 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.349 5.955 32.941 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.775 3.063 34.424 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.198 3.478 33.711 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.557 3.015 32.659 1.00 0.00 H new ATOM 984 N CYS A 12 8.799 4.712 31.877 1.00 0.00 N ATOM 985 CA CYS A 12 7.316 4.665 32.050 1.00 0.00 C ATOM 986 C CYS A 12 6.974 4.137 33.445 1.00 0.00 C ATOM 987 O CYS A 12 7.156 2.973 33.743 1.00 0.00 O ATOM 988 CB CYS A 12 6.693 3.749 30.997 1.00 0.00 C ATOM 989 SG CYS A 12 4.905 4.029 30.944 1.00 0.00 S ATOM 0 H CYS A 12 9.192 3.997 31.265 1.00 0.00 H new ATOM 0 HA CYS A 12 6.917 5.672 31.932 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.133 3.947 30.020 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.903 2.706 31.235 1.00 0.00 H new ATOM 0 HG CYS A 12 4.444 3.670 29.783 1.00 0.00 H new ATOM 994 N THR A 13 6.471 4.984 34.300 1.00 0.00 N ATOM 995 CA THR A 13 6.117 4.537 35.679 1.00 0.00 C ATOM 996 C THR A 13 5.031 3.461 35.628 1.00 0.00 C ATOM 997 O THR A 13 4.730 2.843 36.630 1.00 0.00 O ATOM 998 CB THR A 13 5.579 5.723 36.483 1.00 0.00 C ATOM 999 OG1 THR A 13 4.541 6.359 35.748 1.00 0.00 O ATOM 1000 CG2 THR A 13 6.702 6.722 36.756 1.00 0.00 C ATOM 0 H THR A 13 6.289 5.968 34.104 1.00 0.00 H new ATOM 0 HA THR A 13 7.014 4.133 36.149 1.00 0.00 H new ATOM 0 HB THR A 13 5.186 5.364 37.434 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.304 7.205 36.182 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.310 7.563 37.329 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.493 6.233 37.324 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.105 7.084 35.810 1.00 0.00 H new ATOM 1008 N ASN A 14 4.418 3.240 34.490 1.00 0.00 N ATOM 1009 CA ASN A 14 3.330 2.216 34.410 1.00 0.00 C ATOM 1010 C ASN A 14 3.821 0.912 33.772 1.00 0.00 C ATOM 1011 O ASN A 14 3.330 -0.146 34.105 1.00 0.00 O ATOM 1012 CB ASN A 14 2.181 2.764 33.561 1.00 0.00 C ATOM 1013 CG ASN A 14 1.464 3.882 34.321 1.00 0.00 C ATOM 1014 OD1 ASN A 14 0.530 4.474 33.816 1.00 0.00 O ATOM 1015 ND2 ASN A 14 1.862 4.193 35.523 1.00 0.00 N ATOM 0 H ASN A 14 4.624 3.723 33.616 1.00 0.00 H new ATOM 0 HA ASN A 14 3.001 2.004 35.427 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.565 3.143 32.614 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.479 1.965 33.323 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.390 4.934 36.041 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.646 3.695 35.945 1.00 0.00 H new ATOM 1022 N CYS A 15 4.743 0.957 32.836 1.00 0.00 N ATOM 1023 CA CYS A 15 5.189 -0.317 32.182 1.00 0.00 C ATOM 1024 C CYS A 15 6.707 -0.337 31.959 1.00 0.00 C ATOM 1025 O CYS A 15 7.219 -1.211 31.290 1.00 0.00 O ATOM 1026 CB CYS A 15 4.456 -0.478 30.845 1.00 0.00 C ATOM 1027 SG CYS A 15 5.215 0.572 29.584 1.00 0.00 S ATOM 0 H CYS A 15 5.199 1.806 32.501 1.00 0.00 H new ATOM 0 HA CYS A 15 4.946 -1.149 32.843 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.488 -1.520 30.528 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.405 -0.213 30.964 1.00 0.00 H new ATOM 0 HG CYS A 15 5.158 1.814 29.962 1.00 0.00 H new ATOM 1032 N PHE A 16 7.434 0.590 32.528 1.00 0.00 N ATOM 1033 CA PHE A 16 8.924 0.606 32.383 1.00 0.00 C ATOM 1034 C PHE A 16 9.368 0.727 30.922 1.00 0.00 C ATOM 1035 O PHE A 16 10.543 0.628 30.628 1.00 0.00 O ATOM 1036 CB PHE A 16 9.529 -0.667 32.990 1.00 0.00 C ATOM 1037 CG PHE A 16 9.137 -0.771 34.444 1.00 0.00 C ATOM 1038 CD1 PHE A 16 9.884 -0.106 35.427 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.019 -1.528 34.807 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.508 -0.203 36.773 1.00 0.00 C ATOM 1041 CE2 PHE A 16 7.643 -1.622 36.149 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.387 -0.961 37.133 1.00 0.00 C ATOM 0 H PHE A 16 7.054 1.348 33.095 1.00 0.00 H new ATOM 0 HA PHE A 16 9.284 1.486 32.916 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.179 -1.544 32.445 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.615 -0.646 32.896 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.747 0.480 35.147 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.445 -2.041 34.049 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.082 0.307 37.533 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.778 -2.205 36.427 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.096 -1.036 38.170 1.00 0.00 H new ATOM 1052 N THR A 17 8.469 0.917 29.996 1.00 0.00 N ATOM 1053 CA THR A 17 8.904 1.015 28.569 1.00 0.00 C ATOM 1054 C THR A 17 9.891 2.175 28.403 1.00 0.00 C ATOM 1055 O THR A 17 9.632 3.284 28.820 1.00 0.00 O ATOM 1056 CB THR A 17 7.683 1.272 27.673 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.885 0.102 27.598 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.127 1.671 26.259 1.00 0.00 C ATOM 0 H THR A 17 7.466 1.008 30.159 1.00 0.00 H new ATOM 0 HA THR A 17 9.385 0.080 28.283 1.00 0.00 H new ATOM 0 HB THR A 17 7.103 2.086 28.108 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.218 0.114 28.316 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.249 1.849 25.639 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.726 2.580 26.309 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.722 0.868 25.824 1.00 0.00 H new ATOM 1066 N GLN A 18 11.016 1.919 27.781 1.00 0.00 N ATOM 1067 CA GLN A 18 12.034 2.992 27.557 1.00 0.00 C ATOM 1068 C GLN A 18 12.036 3.392 26.080 1.00 0.00 C ATOM 1069 O GLN A 18 12.719 4.315 25.683 1.00 0.00 O ATOM 1070 CB GLN A 18 13.422 2.469 27.928 1.00 0.00 C ATOM 1071 CG GLN A 18 13.458 2.092 29.410 1.00 0.00 C ATOM 1072 CD GLN A 18 14.860 1.596 29.762 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.686 2.353 30.232 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.166 0.348 29.546 1.00 0.00 N ATOM 0 H GLN A 18 11.275 1.003 27.415 1.00 0.00 H new ATOM 0 HA GLN A 18 11.787 3.854 28.176 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.668 1.601 27.317 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.174 3.229 27.719 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.198 2.954 30.024 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.721 1.317 29.620 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.472 -0.286 29.151 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.100 0.005 29.772 1.00 0.00 H new ATOM 1083 N THR A 19 11.284 2.692 25.266 1.00 0.00 N ATOM 1084 CA THR A 19 11.228 3.000 23.801 1.00 0.00 C ATOM 1085 C THR A 19 9.777 3.331 23.426 1.00 0.00 C ATOM 1086 O THR A 19 8.866 2.596 23.753 1.00 0.00 O ATOM 1087 CB THR A 19 11.714 1.763 23.033 1.00 0.00 C ATOM 1088 OG1 THR A 19 13.025 1.434 23.476 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.755 2.046 21.530 1.00 0.00 C ATOM 0 H THR A 19 10.698 1.910 25.558 1.00 0.00 H new ATOM 0 HA THR A 19 11.861 3.852 23.551 1.00 0.00 H new ATOM 0 HB THR A 19 11.027 0.937 23.218 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.345 0.644 22.993 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.102 1.158 21.002 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.756 2.308 21.182 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.436 2.874 21.334 1.00 0.00 H new ATOM 1097 N THR A 20 9.543 4.436 22.764 1.00 0.00 N ATOM 1098 CA THR A 20 8.138 4.799 22.403 1.00 0.00 C ATOM 1099 C THR A 20 8.145 5.933 21.363 1.00 0.00 C ATOM 1100 O THR A 20 9.015 6.780 21.388 1.00 0.00 O ATOM 1101 CB THR A 20 7.424 5.281 23.672 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.048 5.507 23.400 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.064 6.584 24.158 1.00 0.00 C ATOM 0 H THR A 20 10.257 5.098 22.460 1.00 0.00 H new ATOM 0 HA THR A 20 7.626 3.934 21.982 1.00 0.00 H new ATOM 0 HB THR A 20 7.517 4.516 24.443 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.839 6.454 23.538 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.555 6.925 25.060 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.117 6.412 24.379 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.976 7.344 23.382 1.00 0.00 H new ATOM 1111 N PRO A 21 7.187 5.977 20.464 1.00 0.00 N ATOM 1112 CA PRO A 21 7.121 7.061 19.436 1.00 0.00 C ATOM 1113 C PRO A 21 6.921 8.440 20.079 1.00 0.00 C ATOM 1114 O PRO A 21 7.247 9.460 19.505 1.00 0.00 O ATOM 1115 CB PRO A 21 5.912 6.675 18.564 1.00 0.00 C ATOM 1116 CG PRO A 21 5.081 5.789 19.433 1.00 0.00 C ATOM 1117 CD PRO A 21 6.070 5.025 20.310 1.00 0.00 C ATOM 0 HA PRO A 21 8.045 7.143 18.863 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.354 7.557 18.250 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.227 6.157 17.658 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.389 6.373 20.040 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.480 5.105 18.834 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.633 4.758 21.272 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.393 4.097 19.838 1.00 0.00 H new ATOM 1125 N VAL A 22 6.370 8.475 21.263 1.00 0.00 N ATOM 1126 CA VAL A 22 6.134 9.785 21.933 1.00 0.00 C ATOM 1127 C VAL A 22 5.851 9.568 23.423 1.00 0.00 C ATOM 1128 O VAL A 22 5.215 8.609 23.813 1.00 0.00 O ATOM 1129 CB VAL A 22 4.934 10.469 21.271 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.658 9.688 21.587 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.802 11.900 21.798 1.00 0.00 C ATOM 0 H VAL A 22 6.074 7.655 21.793 1.00 0.00 H new ATOM 0 HA VAL A 22 7.019 10.413 21.834 1.00 0.00 H new ATOM 0 HB VAL A 22 5.085 10.494 20.192 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.806 10.177 21.115 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.750 8.671 21.206 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.507 9.659 22.666 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.948 12.384 21.325 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.655 11.878 22.878 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.709 12.458 21.567 1.00 0.00 H new ATOM 1141 N TRP A 23 6.325 10.454 24.258 1.00 0.00 N ATOM 1142 CA TRP A 23 6.094 10.304 25.727 1.00 0.00 C ATOM 1143 C TRP A 23 4.799 11.008 26.132 1.00 0.00 C ATOM 1144 O TRP A 23 4.583 12.159 25.815 1.00 0.00 O ATOM 1145 CB TRP A 23 7.262 10.924 26.501 1.00 0.00 C ATOM 1146 CG TRP A 23 8.456 10.039 26.361 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.486 10.244 25.511 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.746 8.805 27.073 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.394 9.209 25.655 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.980 8.297 26.607 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.061 8.088 28.068 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.516 7.114 27.112 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.596 6.899 28.578 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.819 6.412 28.102 1.00 0.00 C ATOM 0 H TRP A 23 6.863 11.277 23.987 1.00 0.00 H new ATOM 0 HA TRP A 23 6.017 9.242 25.961 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.483 11.920 26.117 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.999 11.039 27.552 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.585 11.078 24.831 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.261 9.129 25.124 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.117 8.456 28.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.460 6.742 26.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.062 6.355 29.343 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.225 5.493 28.499 1.00 0.00 H new ATOM 1165 N ARG A 24 3.946 10.321 26.851 1.00 0.00 N ATOM 1166 CA ARG A 24 2.663 10.934 27.313 1.00 0.00 C ATOM 1167 C ARG A 24 2.805 11.257 28.801 1.00 0.00 C ATOM 1168 O ARG A 24 3.747 10.837 29.443 1.00 0.00 O ATOM 1169 CB ARG A 24 1.506 9.945 27.114 1.00 0.00 C ATOM 1170 CG ARG A 24 1.296 9.637 25.620 1.00 0.00 C ATOM 1171 CD ARG A 24 0.463 10.740 24.947 1.00 0.00 C ATOM 1172 NE ARG A 24 0.357 10.481 23.479 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.579 11.063 22.777 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.421 11.872 23.355 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.677 10.831 21.495 1.00 0.00 N ATOM 0 H ARG A 24 4.086 9.353 27.140 1.00 0.00 H new ATOM 0 HA ARG A 24 2.452 11.837 26.741 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.715 9.021 27.654 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.591 10.360 27.536 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.262 9.550 25.123 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.793 8.676 25.509 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.532 10.776 25.390 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.925 11.712 25.120 1.00 0.00 H new ATOM 0 HE ARG A 24 1.016 9.849 23.024 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.350 12.052 24.357 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.151 12.326 22.806 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.022 10.195 21.040 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.408 11.286 20.949 1.00 0.00 H new ATOM 1189 N ARG A 25 1.881 11.991 29.361 1.00 0.00 N ATOM 1190 CA ARG A 25 1.977 12.326 30.813 1.00 0.00 C ATOM 1191 C ARG A 25 0.572 12.398 31.418 1.00 0.00 C ATOM 1192 O ARG A 25 -0.422 12.289 30.726 1.00 0.00 O ATOM 1193 CB ARG A 25 2.728 13.651 30.987 1.00 0.00 C ATOM 1194 CG ARG A 25 1.982 14.772 30.263 1.00 0.00 C ATOM 1195 CD ARG A 25 2.845 16.036 30.221 1.00 0.00 C ATOM 1196 NE ARG A 25 2.075 17.110 29.523 1.00 0.00 N ATOM 1197 CZ ARG A 25 2.473 18.353 29.556 1.00 0.00 C ATOM 1198 NH1 ARG A 25 3.566 18.685 30.186 1.00 0.00 N ATOM 1199 NH2 ARG A 25 1.771 19.270 28.948 1.00 0.00 N ATOM 0 H ARG A 25 1.067 12.372 28.879 1.00 0.00 H new ATOM 0 HA ARG A 25 2.533 11.549 31.338 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.821 13.890 32.046 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.739 13.560 30.591 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.733 14.458 29.249 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.041 14.981 30.772 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.105 16.351 31.231 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.781 15.839 29.698 1.00 0.00 H new ATOM 0 HE ARG A 25 1.225 16.868 29.013 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.119 17.970 30.659 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.868 19.659 30.205 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.918 19.013 28.451 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.076 20.243 28.969 1.00 0.00 H new ATOM 1213 N ASN A 26 0.489 12.545 32.717 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.835 12.588 33.410 1.00 0.00 C ATOM 1215 C ASN A 26 -0.889 13.836 34.309 1.00 0.00 C ATOM 1216 O ASN A 26 0.127 14.234 34.841 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.919 11.324 34.279 1.00 0.00 C ATOM 1218 CG ASN A 26 -2.372 11.000 34.622 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.759 11.037 35.773 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -3.195 10.676 33.665 1.00 0.00 N ATOM 0 H ASN A 26 1.295 12.638 33.335 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.660 12.630 32.699 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.469 10.483 33.751 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.347 11.468 35.196 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.166 10.453 33.882 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.868 10.646 32.699 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.040 14.448 34.508 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.159 15.645 35.401 1.00 0.00 C ATOM 1229 C PRO A 27 -1.453 15.465 36.756 1.00 0.00 C ATOM 1230 O PRO A 27 -1.459 16.353 37.586 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.668 15.800 35.603 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.280 15.235 34.367 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.347 14.112 33.900 1.00 0.00 C ATOM 0 HA PRO A 27 -1.680 16.517 34.955 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.005 15.265 36.491 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.943 16.846 35.738 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.280 14.851 34.569 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.382 16.001 33.598 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.701 13.136 34.232 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.282 14.075 32.813 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.820 14.346 36.980 1.00 0.00 N ATOM 1242 CA GLU A 28 -0.091 14.136 38.263 1.00 0.00 C ATOM 1243 C GLU A 28 1.368 14.530 38.029 1.00 0.00 C ATOM 1244 O GLU A 28 2.136 14.736 38.947 1.00 0.00 O ATOM 1245 CB GLU A 28 -0.176 12.660 38.649 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.625 12.316 38.988 1.00 0.00 C ATOM 1247 CD GLU A 28 -2.009 12.993 40.302 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -1.113 13.453 40.992 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -3.192 13.040 40.596 1.00 0.00 O ATOM 0 H GLU A 28 -0.776 13.564 36.326 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.523 14.734 39.065 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.177 12.036 37.828 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.469 12.457 39.504 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.287 12.647 38.188 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.744 11.236 39.073 1.00 0.00 H new ATOM 1256 N GLY A 29 1.737 14.652 36.781 1.00 0.00 N ATOM 1257 CA GLY A 29 3.127 15.050 36.423 1.00 0.00 C ATOM 1258 C GLY A 29 4.023 13.820 36.256 1.00 0.00 C ATOM 1259 O GLY A 29 5.202 13.946 35.991 1.00 0.00 O ATOM 0 H GLY A 29 1.123 14.490 35.983 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.117 15.626 35.498 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.535 15.699 37.198 1.00 0.00 H new ATOM 1263 N GLN A 30 3.490 12.633 36.392 1.00 0.00 N ATOM 1264 CA GLN A 30 4.348 11.423 36.221 1.00 0.00 C ATOM 1265 C GLN A 30 4.466 11.098 34.724 1.00 0.00 C ATOM 1266 O GLN A 30 3.537 11.319 33.972 1.00 0.00 O ATOM 1267 CB GLN A 30 3.730 10.232 36.957 1.00 0.00 C ATOM 1268 CG GLN A 30 2.435 9.797 36.265 1.00 0.00 C ATOM 1269 CD GLN A 30 1.682 8.833 37.181 1.00 0.00 C ATOM 1270 OE1 GLN A 30 0.471 8.884 37.276 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.359 7.953 37.869 1.00 0.00 N ATOM 0 H GLN A 30 2.511 12.450 36.611 1.00 0.00 H new ATOM 0 HA GLN A 30 5.336 11.620 36.636 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.436 9.402 36.978 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.524 10.502 37.993 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.816 10.666 36.043 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.660 9.315 35.314 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.375 7.913 37.787 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.872 7.306 38.489 1.00 0.00 H new ATOM 1280 N PRO A 31 5.588 10.581 34.281 1.00 0.00 N ATOM 1281 CA PRO A 31 5.791 10.241 32.842 1.00 0.00 C ATOM 1282 C PRO A 31 5.129 8.916 32.434 1.00 0.00 C ATOM 1283 O PRO A 31 5.091 7.959 33.183 1.00 0.00 O ATOM 1284 CB PRO A 31 7.315 10.147 32.731 1.00 0.00 C ATOM 1285 CG PRO A 31 7.744 9.629 34.062 1.00 0.00 C ATOM 1286 CD PRO A 31 6.792 10.264 35.079 1.00 0.00 C ATOM 0 HA PRO A 31 5.337 10.978 32.179 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.616 9.476 31.926 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.760 11.119 32.519 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.685 8.541 34.096 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.779 9.899 34.272 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.563 9.579 35.895 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.223 11.160 35.526 1.00 0.00 H new ATOM 1294 N LEU A 32 4.627 8.866 31.227 1.00 0.00 N ATOM 1295 CA LEU A 32 3.977 7.621 30.709 1.00 0.00 C ATOM 1296 C LEU A 32 4.377 7.430 29.247 1.00 0.00 C ATOM 1297 O LEU A 32 4.552 8.384 28.514 1.00 0.00 O ATOM 1298 CB LEU A 32 2.452 7.744 30.778 1.00 0.00 C ATOM 1299 CG LEU A 32 1.984 7.900 32.228 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.495 8.267 32.235 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.188 6.587 33.000 1.00 0.00 C ATOM 0 H LEU A 32 4.639 9.645 30.568 1.00 0.00 H new ATOM 0 HA LEU A 32 4.299 6.776 31.317 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.125 8.602 30.191 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.991 6.861 30.335 1.00 0.00 H new ATOM 0 HG LEU A 32 2.567 8.685 32.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.153 8.380 33.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.349 9.205 31.699 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.077 7.477 31.747 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.851 6.714 34.029 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.613 5.792 32.525 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.245 6.322 32.995 1.00 0.00 H new ATOM 1313 N CYS A 33 4.503 6.208 28.803 1.00 0.00 N ATOM 1314 CA CYS A 33 4.864 5.976 27.380 1.00 0.00 C ATOM 1315 C CYS A 33 3.631 6.236 26.510 1.00 0.00 C ATOM 1316 O CYS A 33 2.670 6.834 26.952 1.00 0.00 O ATOM 1317 CB CYS A 33 5.379 4.546 27.196 1.00 0.00 C ATOM 1318 SG CYS A 33 4.015 3.367 27.336 1.00 0.00 S ATOM 0 H CYS A 33 4.372 5.366 29.363 1.00 0.00 H new ATOM 0 HA CYS A 33 5.660 6.657 27.079 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.857 4.446 26.221 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.138 4.326 27.947 1.00 0.00 H new ATOM 0 HG CYS A 33 4.380 2.368 28.083 1.00 0.00 H new ATOM 1323 N ASN A 34 3.657 5.823 25.271 1.00 0.00 N ATOM 1324 CA ASN A 34 2.496 6.089 24.370 1.00 0.00 C ATOM 1325 C ASN A 34 1.325 5.129 24.624 1.00 0.00 C ATOM 1326 O ASN A 34 0.194 5.557 24.749 1.00 0.00 O ATOM 1327 CB ASN A 34 2.961 5.936 22.922 1.00 0.00 C ATOM 1328 CG ASN A 34 3.314 4.474 22.644 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.678 3.739 23.541 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.223 4.019 21.426 1.00 0.00 N ATOM 0 H ASN A 34 4.430 5.314 24.843 1.00 0.00 H new ATOM 0 HA ASN A 34 2.139 7.099 24.570 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.176 6.266 22.241 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.829 6.570 22.740 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.457 3.047 21.226 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.918 4.635 20.673 1.00 0.00 H new ATOM 1337 N ALA A 35 1.562 3.845 24.667 1.00 0.00 N ATOM 1338 CA ALA A 35 0.435 2.885 24.872 1.00 0.00 C ATOM 1339 C ALA A 35 -0.251 3.097 26.228 1.00 0.00 C ATOM 1340 O ALA A 35 -1.462 3.164 26.305 1.00 0.00 O ATOM 1341 CB ALA A 35 0.962 1.451 24.777 1.00 0.00 C ATOM 0 H ALA A 35 2.484 3.419 24.570 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.306 3.063 24.093 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.140 0.751 24.927 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.402 1.289 23.793 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.720 1.290 25.544 1.00 0.00 H new ATOM 1347 N CYS A 36 0.494 3.172 27.300 1.00 0.00 N ATOM 1348 CA CYS A 36 -0.147 3.345 28.638 1.00 0.00 C ATOM 1349 C CYS A 36 -1.084 4.551 28.618 1.00 0.00 C ATOM 1350 O CYS A 36 -2.176 4.511 29.147 1.00 0.00 O ATOM 1351 CB CYS A 36 0.920 3.594 29.707 1.00 0.00 C ATOM 1352 SG CYS A 36 1.836 2.076 30.050 1.00 0.00 S ATOM 0 H CYS A 36 1.513 3.121 27.308 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.704 2.436 28.867 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.606 4.372 29.371 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.450 3.957 30.621 1.00 0.00 H new ATOM 0 HG CYS A 36 3.047 2.374 30.417 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.665 5.623 28.016 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.533 6.828 27.975 1.00 0.00 C ATOM 1359 C GLY A 37 -2.829 6.514 27.223 1.00 0.00 C ATOM 1360 O GLY A 37 -3.902 6.893 27.645 1.00 0.00 O ATOM 0 H GLY A 37 0.238 5.718 27.551 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.762 7.156 28.989 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.008 7.648 27.485 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.745 5.838 26.108 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.986 5.527 25.336 1.00 0.00 C ATOM 1366 C LEU A 38 -4.856 4.504 26.073 1.00 0.00 C ATOM 1367 O LEU A 38 -6.021 4.735 26.327 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.597 4.937 23.975 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.762 5.939 23.168 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.112 5.216 21.983 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.652 7.077 22.648 1.00 0.00 C ATOM 0 H LEU A 38 -1.878 5.489 25.700 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.551 6.451 25.215 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.030 4.018 24.120 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.496 4.673 23.417 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.991 6.362 23.813 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.517 5.924 21.406 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.468 4.418 22.353 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.888 4.791 21.346 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.046 7.781 22.077 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.431 6.665 22.007 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.111 7.594 23.491 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.307 3.364 26.388 1.00 0.00 N ATOM 1384 CA PHE A 39 -5.103 2.308 27.075 1.00 0.00 C ATOM 1385 C PHE A 39 -5.531 2.736 28.484 1.00 0.00 C ATOM 1386 O PHE A 39 -6.676 2.588 28.864 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.264 1.039 27.184 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.113 -0.053 27.784 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.288 -0.120 29.172 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.739 -0.989 26.951 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.086 -1.126 29.729 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.537 -1.994 27.508 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.710 -2.064 28.897 1.00 0.00 C ATOM 0 H PHE A 39 -3.336 3.117 26.198 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.002 2.134 26.484 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.903 0.739 26.200 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.386 1.219 27.804 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.807 0.605 29.812 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.606 -0.935 25.881 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.220 -1.179 30.799 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.020 -2.717 26.867 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.325 -2.842 29.326 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.613 3.219 29.276 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.957 3.607 30.677 1.00 0.00 C ATOM 1405 C LEU A 40 -6.032 4.697 30.677 1.00 0.00 C ATOM 1406 O LEU A 40 -7.020 4.602 31.378 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.690 4.112 31.386 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.900 4.157 32.913 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.825 2.743 33.515 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.810 5.027 33.552 1.00 0.00 C ATOM 0 H LEU A 40 -3.638 3.363 29.014 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.349 2.739 31.207 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.850 3.459 31.149 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.434 5.106 31.020 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.886 4.576 33.114 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.976 2.798 34.593 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.600 2.117 33.072 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.846 2.311 33.307 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.957 5.060 34.632 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.830 4.603 33.332 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.867 6.037 33.147 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.852 5.737 29.910 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.872 6.825 29.889 1.00 0.00 C ATOM 1424 C LYS A 41 -8.209 6.289 29.373 1.00 0.00 C ATOM 1425 O LYS A 41 -9.258 6.589 29.910 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.396 7.955 28.975 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.392 9.112 29.041 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.920 10.251 28.138 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.934 11.394 28.196 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.680 12.340 27.074 1.00 0.00 N ATOM 0 H LYS A 41 -5.047 5.881 29.300 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.006 7.201 30.903 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.407 8.294 29.282 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.306 7.596 27.950 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.379 8.773 28.728 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.487 9.465 30.068 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.939 10.603 28.459 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.812 9.897 27.113 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.948 10.999 28.130 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.856 11.915 29.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.369 13.118 27.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.718 12.726 27.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.775 11.838 26.168 1.00 0.00 H new ATOM 1444 N LEU A 42 -8.184 5.526 28.318 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.456 5.004 27.746 1.00 0.00 C ATOM 1446 C LEU A 42 -10.098 3.976 28.681 1.00 0.00 C ATOM 1447 O LEU A 42 -11.302 3.936 28.832 1.00 0.00 O ATOM 1448 CB LEU A 42 -9.170 4.345 26.397 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.802 5.414 25.361 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.283 4.722 24.096 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -10.028 6.283 25.017 1.00 0.00 C ATOM 0 H LEU A 42 -7.337 5.241 27.826 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.146 5.839 27.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.355 3.628 26.498 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.045 3.788 26.062 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.030 6.063 25.775 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.018 5.474 23.352 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.402 4.128 24.341 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.059 4.071 23.693 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.746 7.035 24.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.817 5.653 24.608 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.389 6.776 25.919 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.321 3.122 29.288 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.924 2.086 30.177 1.00 0.00 C ATOM 1465 C HIS A 43 -10.157 2.638 31.587 1.00 0.00 C ATOM 1466 O HIS A 43 -11.176 2.367 32.192 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.993 0.873 30.230 1.00 0.00 C ATOM 1468 CG HIS A 43 -9.079 0.115 28.932 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.529 0.597 27.755 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.644 -1.097 28.615 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.771 -0.311 26.793 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.448 -1.364 27.263 1.00 0.00 N ATOM 0 H HIS A 43 -8.304 3.095 29.209 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.892 1.791 29.773 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.967 1.196 30.407 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.271 0.224 31.061 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.031 1.480 27.639 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.161 -1.743 29.309 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.457 -0.203 25.765 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.258 3.418 32.126 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.492 3.970 33.491 1.00 0.00 C ATOM 1482 C GLY A 44 -9.318 2.886 34.559 1.00 0.00 C ATOM 1483 O GLY A 44 -9.724 3.063 35.690 1.00 0.00 O ATOM 0 H GLY A 44 -8.381 3.694 31.685 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.796 4.787 33.681 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.497 4.387 33.551 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.720 1.771 34.223 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.526 0.683 35.233 1.00 0.00 C ATOM 1489 C VAL A 45 -7.145 0.059 35.053 1.00 0.00 C ATOM 1490 O VAL A 45 -6.409 0.404 34.151 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.592 -0.400 35.046 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.923 0.089 35.624 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.758 -0.700 33.552 1.00 0.00 C ATOM 0 H VAL A 45 -8.357 1.566 33.292 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.612 1.109 36.233 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.285 -1.308 35.565 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.682 -0.682 35.491 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.803 0.300 36.686 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.233 0.997 35.106 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.517 -1.471 33.418 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.066 0.207 33.031 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.810 -1.049 33.143 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.789 -0.863 35.907 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.457 -1.512 35.786 1.00 0.00 C ATOM 1505 C VAL A 46 -5.297 -2.079 34.375 1.00 0.00 C ATOM 1506 O VAL A 46 -6.255 -2.506 33.760 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.339 -2.644 36.810 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.448 -2.072 38.227 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.459 -3.662 36.585 1.00 0.00 C ATOM 0 H VAL A 46 -7.364 -1.193 36.682 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.676 -0.775 35.975 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.373 -3.135 36.690 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.364 -2.880 38.953 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.647 -1.352 38.391 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.411 -1.576 38.346 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.372 -4.466 37.316 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.425 -3.171 36.699 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.379 -4.075 35.579 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.090 -2.112 33.869 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.840 -2.680 32.508 1.00 0.00 C ATOM 1521 C ARG A 47 -2.834 -3.829 32.654 1.00 0.00 C ATOM 1522 O ARG A 47 -1.714 -3.601 33.067 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.222 -1.601 31.605 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.936 -2.171 30.205 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.177 -1.132 29.374 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.743 -1.130 29.783 1.00 0.00 N ATOM 1527 CZ ARG A 47 0.150 -0.547 29.032 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -0.221 0.111 27.967 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.413 -0.602 29.356 1.00 0.00 N ATOM 0 H ARG A 47 -3.258 -1.766 34.346 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.775 -3.029 32.070 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.900 -0.751 31.527 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.298 -1.231 32.050 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.349 -3.086 30.286 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.871 -2.435 29.711 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.264 -1.363 28.312 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.611 -0.143 29.522 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.460 -1.585 30.651 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.209 0.169 27.722 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.478 0.567 27.380 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.702 -1.101 30.197 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.111 -0.146 28.768 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.181 -5.045 32.310 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.215 -6.173 32.415 1.00 0.00 C ATOM 1545 C PRO A 48 -0.852 -5.774 31.838 1.00 0.00 C ATOM 1546 O PRO A 48 -0.609 -5.896 30.654 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.871 -7.286 31.590 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.340 -7.018 31.691 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.490 -5.494 31.795 1.00 0.00 C ATOM 0 HA PRO A 48 -2.019 -6.478 33.443 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.534 -7.262 30.554 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.620 -8.271 31.984 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.867 -7.403 30.818 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.767 -7.512 32.564 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.713 -5.047 30.826 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.301 -5.217 32.468 1.00 0.00 H new ATOM 1557 N LEU A 49 0.031 -5.280 32.663 1.00 0.00 N ATOM 1558 CA LEU A 49 1.368 -4.856 32.159 1.00 0.00 C ATOM 1559 C LEU A 49 2.058 -6.060 31.500 1.00 0.00 C ATOM 1560 O LEU A 49 3.049 -5.924 30.810 1.00 0.00 O ATOM 1561 CB LEU A 49 2.213 -4.315 33.321 1.00 0.00 C ATOM 1562 CG LEU A 49 1.487 -3.139 33.994 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.310 -2.646 35.187 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.292 -1.986 32.994 1.00 0.00 C ATOM 0 H LEU A 49 -0.116 -5.152 33.664 1.00 0.00 H new ATOM 0 HA LEU A 49 1.254 -4.062 31.421 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.395 -5.106 34.049 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.186 -3.990 32.954 1.00 0.00 H new ATOM 0 HG LEU A 49 0.509 -3.478 34.336 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.795 -1.812 35.664 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.431 -3.457 35.905 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.290 -2.318 34.842 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.777 -1.161 33.486 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.264 -1.645 32.637 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.697 -2.334 32.149 1.00 0.00 H new ATOM 1576 N SER A 50 1.529 -7.236 31.708 1.00 0.00 N ATOM 1577 CA SER A 50 2.130 -8.460 31.097 1.00 0.00 C ATOM 1578 C SER A 50 2.112 -8.332 29.570 1.00 0.00 C ATOM 1579 O SER A 50 2.703 -9.127 28.867 1.00 0.00 O ATOM 1580 CB SER A 50 1.324 -9.694 31.506 1.00 0.00 C ATOM 1581 OG SER A 50 0.071 -9.678 30.836 1.00 0.00 O ATOM 0 H SER A 50 0.700 -7.404 32.279 1.00 0.00 H new ATOM 0 HA SER A 50 3.157 -8.565 31.446 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.873 -10.601 31.254 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.172 -9.703 32.585 1.00 0.00 H new ATOM 0 HG SER A 50 -0.448 -10.468 31.094 1.00 0.00 H new ATOM 1587 N LEU A 51 1.438 -7.340 29.056 1.00 0.00 N ATOM 1588 CA LEU A 51 1.376 -7.154 27.575 1.00 0.00 C ATOM 1589 C LEU A 51 2.688 -6.543 27.090 1.00 0.00 C ATOM 1590 O LEU A 51 3.124 -6.777 25.981 1.00 0.00 O ATOM 1591 CB LEU A 51 0.251 -6.179 27.243 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.104 -6.745 27.686 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.088 -5.586 27.839 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.649 -7.711 26.627 1.00 0.00 C ATOM 0 H LEU A 51 0.925 -6.646 29.599 1.00 0.00 H new ATOM 0 HA LEU A 51 1.204 -8.117 27.095 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.432 -5.225 27.738 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.236 -5.984 26.171 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.980 -7.278 28.628 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.058 -5.971 28.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.714 -4.888 28.588 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.195 -5.071 26.884 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.611 -8.105 26.955 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.776 -7.182 25.683 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.948 -8.534 26.490 1.00 0.00 H new ATOM 1606 N LYS A 52 3.297 -5.746 27.921 1.00 0.00 N ATOM 1607 CA LYS A 52 4.580 -5.071 27.562 1.00 0.00 C ATOM 1608 C LYS A 52 5.467 -5.969 26.693 1.00 0.00 C ATOM 1609 O LYS A 52 5.536 -7.169 26.864 1.00 0.00 O ATOM 1610 CB LYS A 52 5.303 -4.724 28.870 1.00 0.00 C ATOM 1611 CG LYS A 52 6.742 -4.250 28.627 1.00 0.00 C ATOM 1612 CD LYS A 52 6.753 -2.921 27.870 1.00 0.00 C ATOM 1613 CE LYS A 52 8.179 -2.372 27.875 1.00 0.00 C ATOM 1614 NZ LYS A 52 9.138 -3.484 27.631 1.00 0.00 N ATOM 0 H LYS A 52 2.953 -5.528 28.856 1.00 0.00 H new ATOM 0 HA LYS A 52 4.369 -4.173 26.981 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.749 -3.945 29.394 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.315 -5.599 29.520 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.258 -4.136 29.580 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.287 -5.003 28.058 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.406 -3.065 26.847 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.072 -2.211 28.340 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.289 -1.607 27.106 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.394 -1.895 28.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.064 -3.092 27.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.238 -4.053 28.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.783 -4.086 26.860 1.00 0.00 H new ATOM 1628 N THR A 53 6.163 -5.361 25.772 1.00 0.00 N ATOM 1629 CA THR A 53 7.089 -6.107 24.874 1.00 0.00 C ATOM 1630 C THR A 53 8.260 -5.186 24.530 1.00 0.00 C ATOM 1631 O THR A 53 8.177 -3.985 24.696 1.00 0.00 O ATOM 1632 CB THR A 53 6.354 -6.515 23.597 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.293 -6.899 22.604 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.512 -5.343 23.090 1.00 0.00 C ATOM 0 H THR A 53 6.127 -4.356 25.601 1.00 0.00 H new ATOM 0 HA THR A 53 7.452 -7.009 25.367 1.00 0.00 H new ATOM 0 HB THR A 53 5.699 -7.359 23.814 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.818 -7.161 21.788 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.990 -5.637 22.180 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.784 -5.062 23.851 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.161 -4.494 22.877 1.00 0.00 H new ATOM 1642 N ASP A 54 9.355 -5.725 24.069 1.00 0.00 N ATOM 1643 CA ASP A 54 10.534 -4.862 23.736 1.00 0.00 C ATOM 1644 C ASP A 54 10.520 -4.504 22.249 1.00 0.00 C ATOM 1645 O ASP A 54 11.392 -3.809 21.765 1.00 0.00 O ATOM 1646 CB ASP A 54 11.829 -5.615 24.060 1.00 0.00 C ATOM 1647 CG ASP A 54 11.986 -5.734 25.577 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.320 -4.989 26.279 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.776 -6.557 26.011 1.00 0.00 O ATOM 0 H ASP A 54 9.489 -6.723 23.907 1.00 0.00 H new ATOM 0 HA ASP A 54 10.480 -3.948 24.327 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.808 -6.606 23.607 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.684 -5.088 23.636 1.00 0.00 H new ATOM 1654 N VAL A 55 9.531 -4.963 21.529 1.00 0.00 N ATOM 1655 CA VAL A 55 9.429 -4.652 20.069 1.00 0.00 C ATOM 1656 C VAL A 55 8.109 -3.934 19.801 1.00 0.00 C ATOM 1657 O VAL A 55 7.090 -4.251 20.382 1.00 0.00 O ATOM 1658 CB VAL A 55 9.477 -5.955 19.266 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.208 -5.671 17.781 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.863 -6.582 19.423 1.00 0.00 C ATOM 0 H VAL A 55 8.779 -5.548 21.893 1.00 0.00 H new ATOM 0 HA VAL A 55 10.260 -4.013 19.770 1.00 0.00 H new ATOM 0 HB VAL A 55 8.713 -6.638 19.637 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.245 -6.605 17.220 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.222 -5.219 17.670 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.966 -4.988 17.398 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.908 -7.511 18.855 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.619 -5.891 19.050 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.051 -6.791 20.476 1.00 0.00 H new ATOM 1670 N ILE A 56 8.125 -2.970 18.918 1.00 0.00 N ATOM 1671 CA ILE A 56 6.883 -2.213 18.579 1.00 0.00 C ATOM 1672 C ILE A 56 6.556 -2.495 17.114 1.00 0.00 C ATOM 1673 O ILE A 56 7.418 -2.439 16.260 1.00 0.00 O ATOM 1674 CB ILE A 56 7.118 -0.713 18.764 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.514 -0.430 20.216 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.818 0.033 18.443 1.00 0.00 C ATOM 1677 CD1 ILE A 56 8.024 1.011 20.337 1.00 0.00 C ATOM 0 H ILE A 56 8.958 -2.671 18.410 1.00 0.00 H new ATOM 0 HA ILE A 56 6.063 -2.520 19.229 1.00 0.00 H new ATOM 0 HB ILE A 56 7.916 -0.381 18.100 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.657 -0.580 20.873 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.287 -1.129 20.536 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.972 1.104 18.571 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.526 -0.171 17.413 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.030 -0.303 19.117 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.306 1.212 21.371 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.892 1.145 19.692 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.237 1.702 20.035 1.00 0.00 H new ATOM 1689 N LYS A 57 5.333 -2.819 16.808 1.00 0.00 N ATOM 1690 CA LYS A 57 4.992 -3.124 15.392 1.00 0.00 C ATOM 1691 C LYS A 57 4.829 -1.814 14.619 1.00 0.00 C ATOM 1692 O LYS A 57 4.135 -0.914 15.044 1.00 0.00 O ATOM 1693 CB LYS A 57 3.687 -3.917 15.357 1.00 0.00 C ATOM 1694 CG LYS A 57 3.460 -4.481 13.953 1.00 0.00 C ATOM 1695 CD LYS A 57 2.150 -5.277 13.921 1.00 0.00 C ATOM 1696 CE LYS A 57 2.353 -6.663 14.544 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.167 -7.510 14.242 1.00 0.00 N ATOM 0 H LYS A 57 4.560 -2.886 17.470 1.00 0.00 H new ATOM 0 HA LYS A 57 5.786 -3.712 14.933 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.725 -4.729 16.083 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.853 -3.275 15.640 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.421 -3.669 13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.294 -5.123 13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.375 -4.737 14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.805 -5.380 12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.257 -7.125 14.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.488 -6.575 15.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.298 -8.453 14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.314 -7.068 14.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.059 -7.602 13.212 1.00 0.00 H new ATOM 1711 N LYS A 58 5.465 -1.705 13.484 1.00 0.00 N ATOM 1712 CA LYS A 58 5.351 -0.457 12.675 1.00 0.00 C ATOM 1713 C LYS A 58 4.141 -0.552 11.746 1.00 0.00 C ATOM 1714 O LYS A 58 3.993 -1.508 11.010 1.00 0.00 O ATOM 1715 CB LYS A 58 6.616 -0.280 11.834 1.00 0.00 C ATOM 1716 CG LYS A 58 7.825 -0.122 12.757 1.00 0.00 C ATOM 1717 CD LYS A 58 9.096 0.077 11.924 1.00 0.00 C ATOM 1718 CE LYS A 58 9.408 -1.183 11.109 1.00 0.00 C ATOM 1719 NZ LYS A 58 8.689 -1.119 9.807 1.00 0.00 N ATOM 0 H LYS A 58 6.060 -2.428 13.081 1.00 0.00 H new ATOM 0 HA LYS A 58 5.229 0.395 13.344 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.754 -1.141 11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.519 0.595 11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.678 0.730 13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.929 -1.004 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.969 0.928 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.935 0.310 12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.482 -1.264 10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.104 -2.072 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.006 -1.901 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.184 -0.213 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.374 -1.199 9.028 1.00 0.00 H new ATOM 1733 N ARG A 59 3.275 0.427 11.766 1.00 0.00 N ATOM 1734 CA ARG A 59 2.074 0.392 10.882 1.00 0.00 C ATOM 1735 C ARG A 59 2.349 1.226 9.628 1.00 0.00 C ATOM 1736 O ARG A 59 3.437 1.731 9.436 1.00 0.00 O ATOM 1737 CB ARG A 59 0.862 0.952 11.633 1.00 0.00 C ATOM 1738 CG ARG A 59 0.443 -0.034 12.731 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.772 0.522 13.483 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.040 -0.294 14.712 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.274 -1.579 14.658 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -1.423 -2.182 13.510 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.405 -2.259 15.766 1.00 0.00 N ATOM 0 H ARG A 59 3.349 1.253 12.360 1.00 0.00 H new ATOM 0 HA ARG A 59 1.861 -0.637 10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.107 1.919 12.072 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.036 1.116 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.200 -1.002 12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.269 -0.196 13.423 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.593 1.561 13.760 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.647 0.511 12.833 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.040 0.169 15.621 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.357 -1.650 12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.605 -3.185 13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.325 -1.787 16.667 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.588 -3.262 15.730 1.00 0.00 H new ATOM 1757 N ASN A 60 1.393 1.328 8.749 1.00 0.00 N ATOM 1758 CA ASN A 60 1.612 2.079 7.479 1.00 0.00 C ATOM 1759 C ASN A 60 1.620 3.588 7.732 1.00 0.00 C ATOM 1760 O ASN A 60 1.463 4.050 8.846 1.00 0.00 O ATOM 1761 CB ASN A 60 0.476 1.744 6.510 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.838 2.301 7.062 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.879 2.798 8.169 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.916 2.244 6.332 1.00 0.00 N ATOM 0 H ASN A 60 0.463 0.922 8.855 1.00 0.00 H new ATOM 0 HA ASN A 60 2.576 1.791 7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.682 2.171 5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.401 0.665 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.795 2.617 6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.881 1.826 5.402 1.00 0.00 H new